{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 11.4388721 -14.2592916 5.2363042 ] [ -2.9682688 4.6378144 8.7455689 ] [ 7.6881676 0.8591652 -2.3749127 ] [ -6.5157819 0.7547174 -3.6365086 ] [ 3.9563346 2.0910439 -0.1279366 ] [ -17.0948026 9.1633529 -14.6013856 ] [ 9.5313945 0.9714854 4.2600545 ] [ -6.0359157 -4.2182877 2.4988161 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.832709359793451e-08 -2.284590381891247e-08 8.389484237756062e-09 ] [ -4.75569091479122e-09 7.430597864508729e-09 1.401194614261708e-08 ] [ 1.231780248699586e-08 1.376534408185937e-09 -3.805029635729851e-09 ] [ -1.043943351242012e-08 1.209190583553231e-09 -5.826329108260051e-09 ] [ 6.338746852405736e-09 3.350221677248232e-09 -2.049770311534044e-10 ] [ -2.738889328856245e-08 1.468130990547614e-08 -2.339399883234407e-08 ] [ 1.527097755733611e-08 1.556491208152144e-09 6.825359779466552e-09 ] [ -9.670603099333754e-09 -6.758441988429601e-09 4.003544768083007e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.31374 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.376143601515115e-18 } }